2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide

C16H15NO5 — CID 18166105

IUPAC2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H15NO5/c1-19-11-3-4-12(16(17)18)14(7-11)20-8-10-2-5-13-15(6-10)22-9-21-13/h2-7H,8-9H2,1H3,(H2,17,18)
InChIKeyRETOPXLOQVPIPK-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.10
Rot. Bonds5

About 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide

2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide (PubChem CID 18166105) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
PubChem CID18166105
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H15NO5/c1-19-11-3-4-12(16(17)18)14(7-11)20-8-10-2-5-13-15(6-10)22-9-21-13/h2-7H,8-9H2,1H3,(H2,17,18)
InChIKeyRETOPXLOQVPIPK-UHFFFAOYSA-N
XLogP2.10
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarbothioamide
CID 63092157
2-[(3-fluorophenyl)methoxy]-4-methoxybenzamide
CID 17495497
2-(1,3-benzodioxol-5-ylmethoxy)benzenecarbothioamide
CID 28602236
2-(1,3-benzodioxol-5-ylmethoxy)-5-chlorobenzenecarbothioamide
CID 62494738
1-(1,3-benzodioxol-5-yl)-3-(2,4,6-trimethoxyphenyl)propan-2-one
CID 46830515
2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide
CID 63094208
(E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]prop-2-enamide
CID 170878016
1-[2-(1,3-benzodioxol-5-ylmethoxy)-5-bromophenyl]ethanone
CID 78906397
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2637857
3-(1,3-benzodioxol-5-yl)-2-(2,4-dimethoxyphenyl)propanoic acid
CID 82140683
[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methoxyphenyl] 2-chloroacetate
CID 142875458
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide (CID 18166105) is 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide?
The InChIKey is RETOPXLOQVPIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-19-11-3-4-12(16(17)18)14(7-11)20-8-10-2-5-13-15(6-10)22-9-21-13/h2-7H,8-9H2,1H3,(H2,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide?
2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide has a molecular weight of 301.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide is sourced from PubChem (CID 18166105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).